Information card for entry 7217828

Structure parameters

• Formula: C26 H20 Cl4 N2
• Calculated formula: C26 H20 Cl4 N2
• SMILES: c1(c2ccccc2)[nH]c2c(c(ccc2c2ccccc2)c2ccccc2)[nH+]1.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: 2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters
• Authors of publication: Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 7.2022 ± 0.0002 Å
• b: 13.4802 ± 0.0004 Å
• c: 23.7766 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2308.4 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No